N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine

C42H35N — CID 155399590

IUPACN-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C42H35N/c1-2-9-33(10-3-1)43(34-16-18-37-30(25-34)15-14-29-8-4-5-11-36(29)37)35-17-19-39-38-12-6-7-13-40(38)42(41(39)26-35)31-21-27-20-28(23-31)24-32(42)22-27/h1-19,25-28,31-32H,20-24H2
InChIKeyIRDIPBUNSWTLOO-UHFFFAOYSA-N
MW553.75 g/mol
LogP11.19
Rot. Bonds3

About N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine

N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155399590) has the molecular formula C42H35N and a molecular weight of 553.75 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155399590
Molecular FormulaC42H35N
Molecular Weight553.75 g/mol
Exact Mass553.28
IUPAC NameN-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C42H35N/c1-2-9-33(10-3-1)43(34-16-18-37-30(25-34)15-14-29-8-4-5-11-36(29)37)35-17-19-39-38-12-6-7-13-40(38)42(41(39)26-35)31-21-27-20-28(23-31)24-32(42)22-27/h1-19,25-28,31-32H,20-24H2
InChIKeyIRDIPBUNSWTLOO-UHFFFAOYSA-N
XLogP11.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenanthren-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217241
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216654
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(3-naphthalen-1-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-phenanthren-2-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 157226955
N-phenanthren-9-yl-N-(4-phenylphenyl)-7'-[7-(4-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylanilino)phenanthren-2-yl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156568027
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-phenanthren-2-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722361
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine (CID 155399590) is N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is IRDIPBUNSWTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N/c1-2-9-33(10-3-1)43(34-16-18-37-30(25-34)15-14-29-8-4-5-11-36(29)37)35-17-19-39-38-12-6-7-13-40(38)42(41(39)26-35)31-21-27-20-28(23-31)24-32(42)22-27/h1-19,25-28,31-32H,20-24H2.
What are the key properties of N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine?
N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 553.75 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155399590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).